Information card for entry 4349308

Structure parameters

• Formula: C16 H18 Ga N3 O9
• Calculated formula: C16 H18 Ga N3 O9
• SMILES: [Ga]1234(OC(=O)c5[n]3c(ccc5)CN(Cc3[n]4c(ccc3)C(=O)O1)CC(=O)O2)[OH2].O.O
• Title of publication: Dipicolinate Complexes of Gallium(III) and Lanthanum(III).
• Authors of publication: Weekes, David M.; Ramogida, Caterina F.; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O.; Apte, Chirag; Kostelnik, Thomas I.; Cawthray, Jacqueline F.; Murphy, Lisa; Orvig, Chris
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12544 - 12558
• a: 30.9305 ± 0.0018 Å
• b: 35.941 ± 0.002 Å
• c: 7.0749 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7865 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No